CRYSCOR A program for electron correlation in crystals
 
 

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Test Jobs (Demo Ver.)

for the free-of-charge CRYSCOR demo version

running on a single processor AMD Opteron, 64 bit, 2200MHz

 

Key:

.d12 -- CRYSTAL input file

.d3 -- PROPERTIES input file

.d4 -- CRYSCOR input file

.outc -- CRYSCOR output file

 


No. Test CRYSTAL PROPERTIES CRYSCOR CRYSCOR E(MP2) TCPU
1 Argon cubic bulk d12 d3 d4 outc -0.04701010 539
2 Argon hexagonal bulk d12 d3 d4 outc -0.09411960 914
3 Argon on MgO (1-layer slab) d12 d3 d4 outc -0.23677083 420
4 BeS bulk d12 d3 d4 outc -0.15386635 472
5 BN hexagonal (1-layer slab) d12 d3 d4 outc -0.23155950 647
6 BN hexagonal bulk d12 d3 d4 outc -0.43678881 1740
7 CO2 molecule d12 d3 d4 outc -0.44116070 1.4
8 Diamond d12 d3 d4 outc -0.24091552 879
9 H2O molecule d12 d3 d4 outc -0.21664321 0.25
10 LiF d12 d3 d4 outc -0.31921411 226
11 LiH d12 d3 d4 outc -0.02626070 193
12 MgO 1-layer slab supercell d12 d3 d4 outc -0.42503459 1511
13 MgO bulk d12 d3 d4 outc -0.20750795 815
14 SiC d12 d3 d4 outc -0.19386700 1467
15 Silicon d12 d3 d4 outc -0.12868388 924
 
Last Modified: Monday, February 10, 2014 [16:01:26].